2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone

C22H24N4O2 — CID 147459817

IUPAC2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)n1C
InChIInChI=1S/C22H24N4O2/c1-14-23-9-21(25(14)2)15-3-4-16-8-24-19(6-17(16)5-15)7-22(27)18-10-26(11-18)20-12-28-13-20/h3-6,8-9,18,20H,7,10-13H2,1-2H3
InChIKeyDZSCNLSGIRSIBT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.39
Rot. Bonds5

About 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone (PubChem CID 147459817) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
PubChem CID147459817
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)n1C
InChIInChI=1S/C22H24N4O2/c1-14-23-9-21(25(14)2)15-3-4-16-8-24-19(6-17(16)5-15)7-22(27)18-10-26(11-18)20-12-28-13-20/h3-6,8-9,18,20H,7,10-13H2,1-2H3
InChIKeyDZSCNLSGIRSIBT-UHFFFAOYSA-N
XLogP2.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone (CID 147459817) is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone.
What is the SMILES notation for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The canonical SMILES for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)n1C.
What is the InChIKey of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The InChIKey is DZSCNLSGIRSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-23-9-21(25(14)2)15-3-4-16-8-24-19(6-17(16)5-15)7-22(27)18-10-26(11-18)20-12-28-13-20/h3-6,8-9,18,20H,7,10-13H2,1-2H3.
What are the key properties of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone is sourced from PubChem (CID 147459817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).